{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.749367 0.750633 0.2773 ] [ 0 0.5 0.470209 ] [ 0 0 0 ] [ 0.750633 0.250633 0.7227 ] [ 0.5 0 0.529791 ] [ 0.250633 0.249367 0.2773 ] [ 0.249367 0.250633 0.7227 ] [ 0.5 0.5 0 ] [ 0.250633 0.750633 0.2773 ] [ 0.249367 0.749367 0.7227 ] [ 0.750633 0.749367 0.7227 ] [ 0.749367 0.249367 0.2773 ] [ 0.5 0 0.972615 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.027385 ] [ 0 0 0.5 ] [ 0.734645 0.5 0.507773 ] [ 0 0.765355 0.507773 ] [ 0 0 0.271764 ] [ 0.234645 0 0.492227 ] [ 0 0.282302 0.100833 ] [ 0.5 0 0.196413 ] [ 0 0.5 0.803587 ] [ 0.5 0.217698 0.899167 ] [ 0.217698 0.5 0.100833 ] [ 0.5 0.265355 0.492227 ] [ 0.265355 0.5 0.507773 ] [ 0.5 0.5 0.728236 ] [ 0.5 0.5 0.271764 ] [ 0.5 0.734645 0.492227 ] [ 0.5 0.782302 0.899167 ] [ 0.782302 0.5 0.100833 ] [ 0 0.717698 0.100833 ] [ 0.717698 0 0.899167 ] [ 0.765355 0 0.492227 ] [ 0 0 0.728236 ] [ 0 0.234645 0.507773 ] [ 0.282302 0 0.899167 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ta" "Ta" "Ta" "Ta" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.56732058 "source-unit" "angstrom" } "c" { "source-value" 8.54643283 "source-unit" "angstrom" } }